Geometry & MOs

Info

ID:

379252

PubChem CID:

134356921

Reduced:

N7O8C37H47 (1)

Stoich.:

A7B8C37D47 (1)

Weight, g/mol:

480.296122

ΔHf, kcal/mol:

-262.27

Dipole, Da:

3.95

IP(EA), eV:

 -9.01(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,5-diamino-N-[N'-[4-[4-(3-amino-3-oxopropyl)-5,6,7,8-tetrahydronaphthalen-1-yl]butyl]carbamimidoyl]-6-ethylpyrazine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=O)C(=C(C1=O)C)C(C)(C)CC(=O)N[C@@H](CC[C@@H](CC2[C@@H]([C@@H](C(O2)N3C=NC4=C(N=CN=C43)N)O)O)CNCC5=CC=CC=C5)C(=O)O)C

DOS

IR

Vibrations